2-methoxy-1,7,9-trimethylpurine-6,8-dione Chemical Properties

Melting point:

186-197 °C(Solv: ethanol (64-17-5))

Boiling point:

283.5±50.0 °C(Predicted)

Density 

1.44±0.1 g/cm3(Predicted)

storage temp. 

2-8°C

solubility 

Ethanol: Sparingly soluble: 1-10 mg/ml

form 

Solid

pka

2.04±0.20(Predicted)

color 

White to off-white

InChI

InChI=1S/C9H12N4O3/c1-11-5-6(12(2)9(11)15)10-8(16-4)13(3)7(5)14/h1-4H3

InChIKey

ZVQXCXPGLSBNCX-UHFFFAOYSA-N

SMILES

N1(C)C2=C(N=C(OC)N(C)C2=O)N(C)C1=O

2-methoxy-1,7,9-trimethylpurine-6,8-dione Usage And Synthesis

Uses

Methylliberine is an alkaloid metabolite of Caffeine (C080100), a bitter, white crystalline xanthine alkaloid that acts as a stimulant drug and a reversible acetylcholinesterase inhibitor. Caffeine is found in varying quantities in the seeds, leaves, and fruit of some plants, where it acts as a natural pesticide that paralyzes and kills certain insects feeding on the plants. In humans, caffeine acts as a central nervous system stimulant, temporarily warding off drowsiness and restoring alertness. Caffeine is a cardiac and respiratory stimulant; diuretic. Caffeine is toxic at sufficiently high doses.

References

[1] JOSEF PETERMANN  Hans W  Thomas W Baumann. A new tetramethyluric acid from Coffea leberica and c. dewevrei[J]. Phytochemistry, 1977, 16 5: Pages 620-621. DOI: 10.1016/0031-9422(77)80039-3

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